Geometry & MOs

Info

ID:	335672
PubChem CID:	127254534
Reduced:	FOSN6H9C11 (1)
Stoich.:	ABCD6E9F11 (1)
Weight, g/mol:	558.1591
ΔH_f, kcal/mol:	42.9
Dipole, Da:	3.52
IP(EA), eV:	-9.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(1,3-benzodioxole-5-carbonyl)-1'-(2-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)SC(=N2)NC(=O)CCN3C=NN=N3

DOS

IR

Vibrations